Crystal structure and Hirshfeld analysis of 2-(5-bromothiophen-2-yl)acetonitrile.

The title compound, C₆H₄BrNS, crystallizes in the space group P2₁/n with one complete molecule in the asymmetric unit. The non-H atoms are nearly planar (r.m.s for non-H atoms = 0.071 Å), with the nitrile group oriented antiperiplanar with respect to the thiophene S atom. Intermolecular Type I centrosymmetric Br. Br halogen interactions are present at a distance of 3.582 (1) Å and with a C--Br. . .Br angle of 140.7 (1)°. Additional weaker C--H. . .N, C--H... S, and S... π interactions are also present. A Hirshfeld analysis indicates Br... πBr interactions comprise only 1.9% of all the interatomic contacts. [ABSTRACT FROM AUTHOR]